Dual-Directed Algorithm Design for Efficient Pure Exploration

Abstract

While experimental design often focuses on selecting the single best alternative from a finite set (e.g., in ranking and selection or best-arm identification), many pure-exploration problems pursue richer goals. Given a specific goal, adaptive experimentation aims to achieve it by strategically allocating sampling effort, with the underlying sample complexity characterized by a maximin optimization problem. By introducing dual variables, we derive necessary and sufficient conditions for an optimal allocation, yielding a unified algorithm design principle that extends the top-two approach beyond best-arm identification. This principle gives rise to Information-Directed Selection, a hyperparameter-free rule that dynamically evaluates and chooses among candidates based on their current informational value. We prove that, when combined with Information-Directed Selection, top-two Thompson sampling attains asymptotic optimality for Gaussian best-arm identification, resolving a notable open question in the pure-exploration literature. Furthermore, our framework produces asymptotically optimal algorithms for pure-exploration thresholding bandits and $\varepsilon$-best-arm identification (i.e., ranking and selection with probability-of-good-selection guarantees), and more generally establishes a recipe for adapting Thompson sampling across a broad class of pure-exploration problems. Extensive numerical experiments highlight the efficiency of our proposed algorithms compared to existing methods.